(8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C23H28N4O2 — CID 11440767

IUPAC(8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESC[C@@H]1CN(c2cccc3ccccc23)CCN1CN1CC(=O)N2CCC[C@H]2C1=O
InChIInChI=1S/C23H28N4O2/c1-17-14-24(20-9-4-7-18-6-2-3-8-19(18)20)12-13-25(17)16-26-15-22(28)27-11-5-10-21(27)23(26)29/h2-4,6-9,17,21H,5,10-16H2,1H3/t17-,21+/m1/s1
InChIKeyRHPMSRVAUFLOEW-UTKZUKDTSA-N
MW392.50 g/mol
LogP2.14
Rot. Bonds3

About (8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

(8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 11440767) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name(8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID11440767
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESC[C@@H]1CN(c2cccc3ccccc23)CCN1CN1CC(=O)N2CCC[C@H]2C1=O
InChIInChI=1S/C23H28N4O2/c1-17-14-24(20-9-4-7-18-6-2-3-8-19(18)20)12-13-25(17)16-26-15-22(28)27-11-5-10-21(27)23(26)29/h2-4,6-9,17,21H,5,10-16H2,1H3/t17-,21+/m1/s1
InChIKeyRHPMSRVAUFLOEW-UTKZUKDTSA-N
XLogP2.14
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(4-Naphthalen-1-yl-piperazin-1-yl)-butyl]-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 11441559
2-{3-[4-(2-methylphenyl)-1-piperazinyl]propyl}tetrahydroimidazo[1,5-a]pyridine-1,3(2H,5H)-dione
CID 10571215
Csp-2503
CID 11291892
formic acid;(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 25199554
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-naphthalen-1-ylacetamide
CID 2106714
(10aS)-2-(2-ethylphenyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 7714690
2-[3-(4-o-Tolyl-piperazin-1-yl)-propyl]-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 10832975
2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 10317515
(R)-2-[4-((R)-2-Methyl-4-naphthalen-1-yl-piperazin-1-yl)-butyl]-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 11293449
(R)-2-((S)-2-Methyl-4-naphthalen-1-yl-piperazin-1-ylmethyl)-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 11315353
(S)-2-[4-((S)-2-Methyl-4-naphthalen-1-yl-piperazin-1-yl)-butyl]-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 11464690
(R)-2-((R)-2-Methyl-4-naphthalen-1-yl-piperazin-1-ylmethyl)-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 11486175

Frequently Asked Questions

What is the IUPAC name of (8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of (8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 11440767) is (8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for (8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for (8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is C[C@@H]1CN(c2cccc3ccccc23)CCN1CN1CC(=O)N2CCC[C@H]2C1=O.
What is the InChIKey of (8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is RHPMSRVAUFLOEW-UTKZUKDTSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-14-24(20-9-4-7-18-6-2-3-8-19(18)20)12-13-25(17)16-26-15-22(28)27-11-5-10-21(27)23(26)29/h2-4,6-9,17,21H,5,10-16H2,1H3/t17-,21+/m1/s1.
What are the key properties of (8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?
(8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 392.50 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-[[(2R)-2-methyl-4-naphthalen-1-ylpiperazin-1-yl]methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 11440767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).